ethyl 2,5-dibutylbenzoate

C17H26O2 — CID 166059942

IUPACethyl 2,5-dibutylbenzoate
SMILESCCCCc1ccc(CCCC)c(C(=O)OCC)c1
InChIInChI=1S/C17H26O2/c1-4-7-9-14-11-12-15(10-8-5-2)16(13-14)17(18)19-6-3/h11-13H,4-10H2,1-3H3
InChIKeyZIYZOCWPFGWPPY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.55
Rot. Bonds8

About ethyl 2,5-dibutylbenzoate

ethyl 2,5-dibutylbenzoate (PubChem CID 166059942) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethyl 2,5-dibutylbenzoate.

Molecular Properties

Compound Nameethyl 2,5-dibutylbenzoate
PubChem CID166059942
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethyl 2,5-dibutylbenzoate
SMILESCCCCc1ccc(CCCC)c(C(=O)OCC)c1
InChIInChI=1S/C17H26O2/c1-4-7-9-14-11-12-15(10-8-5-2)16(13-14)17(18)19-6-3/h11-13H,4-10H2,1-3H3
InChIKeyZIYZOCWPFGWPPY-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-(chloromethyl)-2-(3-chloropropyl)benzoate
CID 134649178
diethyl 6-(4-butylphenyl)azulene-1,3-dicarboxylate
CID 11036889
ethyl 5-(3-bromopropyl)-2-(cyanomethyl)benzoate
CID 134641844
ethyl 3,4-dibutylbenzoate
CID 166060053
(E)-1-(2,5-dibutylphenyl)but-2-en-1-one
CID 174661217
bis(2-methylpropyl) 4-butylbenzene-1,2-dicarboxylate
CID 23502202
ethyl 5-(bromomethyl)-2-(3-ethoxy-3-oxopropyl)benzoate
CID 134648728
ethyl 5-bromo-2-(3-bromopropyl)benzoate
CID 134633528
ethyl 2-(hydroxymethyl)-5-(3-methoxy-3-oxopropyl)benzoate
CID 134643845
ethyl 2-(3-chloropropyl)-5-sulfanylbenzoate
CID 134642624
ethyl 2-(3-bromopropyl)-5-iodobenzoate
CID 134642746
ethyl 2-bromo-5-(3-chloropropyl)benzoate
CID 134631982

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dibutylbenzoate?
The IUPAC name of ethyl 2,5-dibutylbenzoate (CID 166059942) is ethyl 2,5-dibutylbenzoate.
What is the SMILES notation for ethyl 2,5-dibutylbenzoate?
The canonical SMILES for ethyl 2,5-dibutylbenzoate is CCCCc1ccc(CCCC)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 2,5-dibutylbenzoate?
The InChIKey is ZIYZOCWPFGWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-7-9-14-11-12-15(10-8-5-2)16(13-14)17(18)19-6-3/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl 2,5-dibutylbenzoate?
ethyl 2,5-dibutylbenzoate has a molecular weight of 262.39 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dibutylbenzoate is sourced from PubChem (CID 166059942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).